REMARK  Name = BDB012191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.408  -1.634  -2.865  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.905  -0.557  -2.536  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.204  -0.491  -1.703  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -0.701  -1.741  -1.133  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -1.557  -1.524   0.108  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.733  -0.587  -0.196  0.00  0.00    +0.097 C 
ATOM      7  C   LIG    1       -2.329   0.603  -1.086  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.819   0.751  -1.230  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -3.392  -0.157   1.028  0.00  0.00    -0.271 N 
ATOM     10  C   LIG    1       -4.633  -0.566   1.470  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -4.827   0.056   2.687  0.00  0.00    +0.157 A 
ATOM     12  C   LIG    1       -5.982  -0.120   3.421  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -6.965  -0.958   2.887  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.767  -1.593   1.646  0.00  0.00    +0.002 A 
ATOM     15  O   LIG    1       -3.756   0.851   3.063  0.00  0.00    -0.407 OA
ATOM     16  C   LIG    1       -5.584  -1.401   0.921  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -2.868   0.688   1.992  0.00  0.00    +0.422 A 
ATOM     18  O   LIG    1       -1.779   1.246   1.943  0.00  0.00    -0.223 OA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1        1.507   0.763  -2.988  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.806   0.636  -3.790  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.963  -0.128  -3.136  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.040   0.055  -1.641  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1        3.505  -0.958  -0.891  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.042  -1.738  -1.346  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        3.421  -0.920   0.477  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1        2.891  -1.813   1.131  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        4.009   0.273   1.111  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        4.562   1.244   0.269  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1        5.133   2.378   0.849  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        5.145   2.541   2.236  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.585   1.565   3.062  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.016   0.423   2.502  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1        4.557   1.126  -1.133  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5